N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H20N6O — CID 70771434

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1noc(CNc2cc(-c3ccccc3)nc3c(C)c(C)nn23)n1
InChIInChI=1S/C19H20N6O/c1-4-16-22-18(26-24-16)11-20-17-10-15(14-8-6-5-7-9-14)21-19-12(2)13(3)23-25(17)19/h5-10,20H,4,11H2,1-3H3
InChIKeyWJUQDUUETMCRLI-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.57
Rot. Bonds5

About N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70771434) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70771434
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1noc(CNc2cc(-c3ccccc3)nc3c(C)c(C)nn23)n1
InChIInChI=1S/C19H20N6O/c1-4-16-22-18(26-24-16)11-20-17-10-15(14-8-6-5-7-9-14)21-19-12(2)13(3)23-25(17)19/h5-10,20H,4,11H2,1-3H3
InChIKeyWJUQDUUETMCRLI-UHFFFAOYSA-N
XLogP3.57
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70771434) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1noc(CNc2cc(-c3ccccc3)nc3c(C)c(C)nn23)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WJUQDUUETMCRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-4-16-22-18(26-24-16)11-20-17-10-15(14-8-6-5-7-9-14)21-19-12(2)13(3)23-25(17)19/h5-10,20H,4,11H2,1-3H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70771434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).